SCHEMBL6415712

SCHEMBL6415712

Cc1cnc(N[C@H](C)c2ccccc2)nc1Nc1nc(-c2ccccc2)cc2ncnn12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
NTRK1 P04629 3/20 0.39
IDH1 O75874 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
PLK1 P53350 1/20 0.38
PFKFB3 Q16875 1/20 0.38
IGF1R P08069 3/20 0.37
ATP1A1 P05023 4/20 0.37
ATP1B1 P05026 4/20 0.37
ATP1A3 P13637 4/20 0.37
ATP1B2 P14415 4/20 0.37
ATP1A2 P50993 4/20 0.37
ATP1B3 P54709 4/20 0.37
FXYD2 P54710 4/20 0.37
ATP1A4 Q13733 4/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6414904 0.82 PLK1 (0.46) PLK1LCK
SCHEMBL5314487 0.82 PLK1 (0.46) PLK1LCK
SCHEMBL6417552 0.69 ALDH1A1 (0.35) NPC1RAB9AALDH1A1TSHRMAPK1
SCHEMBL6414447 0.68 ALDH1A1 (0.36) ALDH1A1TSHRMAPK1PLK1RPS6KB1
SCHEMBL13220952 0.68 GSK3B (0.53) ALDH1A1TSHRMAPK1IGF1R
SCHEMBL5311550 0.67 KDM4E (0.41) NPC1RAB9AALDH1A1TSHRMAPK1
SCHEMBL6414308 0.65 ALDH1A1 (0.37) NPC1RAB9AALDH1A1TSHRMAPK1
SCHEMBL5318263 0.64 MAPT (0.41) MEN1NPC1RAB9AKMT2AALDH1A1
SCHEMBL5311751 0.63 ALDH1A1 (0.39) NPC1RAB9AALDH1A1TSHRMAPK1
SCHEMBL5317535 0.63 BPTF (0.46) MEN1RAB9AKMT2AALDH1A1TSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050288502-A1 Substituted heterocyclic compounds and methods of use AMGEN, INC. 2005-12-29 US claimed
US-20050288502-A1 Substituted heterocyclic compounds and methods of use AMGEN, INC. 2005-12-29 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050288502-A1 Substituted heterocyclic compounds and methods of use MYLK2, IAPP, MAPT MEN1 756/4885NPC1 3886/4885RAB9A 2169/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.